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schwede
openstructure
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c85aa97e
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c85aa97e
authored
5 months ago
by
Xavier Robin
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Merge branch 'develop' into release-2.9.0
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093cd0fe
b7e0bec6
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c85aa97e
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@@ -55,7 +55,7 @@ RUN cd ${SRC_FOLDER} && \
-DENABLE_INFO=0 && \
make -j ${CPUS_FOR_MAKE} && \
wget https://files.wwpdb.org/pub/pdb/data/monomers/components.cif.gz && \
stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb && stage/bin/chemdict_tool update ../modules/conop/data/charmm.cif compounds.chemlib charmm && \
stage/bin/chemdict_tool create components.cif.gz compounds.chemlib pdb
-i
&& stage/bin/chemdict_tool update ../modules/conop/data/charmm.cif compounds.chemlib charmm && \
cmake .. -DCOMPOUND_LIB=${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}/build/compounds.chemlib && \
make -j ${CPUS_FOR_MAKE} && make check && make install && \
rm ${SRC_FOLDER}/openstructure-${OPENSTRUCTURE_VERSION}.tar.gz && \
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